# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au2MoPt # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.963862907e+02 3.963862907e+02 1.30 3.689100447e+02 3.689100447e+02 1.32 3.433062556e+02 3.433062556e+02 1.34 3.194575683e+02 3.194575683e+02 1.36 2.972616194e+02 2.972616194e+02 1.38 2.766174507e+02 2.766174507e+02 1.40 2.574190695e+02 2.574190695e+02 1.42 2.395575059e+02 2.395575059e+02 1.44 2.229267520e+02 2.229267520e+02 1.46 2.074282102e+02 2.074282102e+02 1.48 1.929717870e+02 1.929717870e+02 1.50 1.794749464e+02 1.794749464e+02 1.52 1.668614169e+02 1.668614169e+02 1.54 1.550603738e+02 1.550603738e+02 1.56 1.440063026e+02 1.440063026e+02 1.58 1.336393480e+02 1.336393480e+02 1.60 1.239057357e+02 1.239057357e+02 1.62 1.147578978e+02 1.147578978e+02 1.64 1.061541315e+02 1.061541315e+02 1.66 9.805794587e+01 9.805794587e+01 1.68 9.043748560e+01 9.043748560e+01 1.70 8.326521402e+01 8.326521402e+01 1.72 7.651753944e+01 7.651753944e+01 1.74 7.017391432e+01 7.017391432e+01 1.76 6.421539144e+01 6.421539144e+01 1.78 5.862319534e+01 5.862319534e+01 1.80 5.338122279e+01 5.338122279e+01 1.82 4.850348164e+01 4.850348164e+01 1.84 4.401646717e+01 4.401646717e+01 1.86 3.989318546e+01 3.989318546e+01 1.88 3.610286326e+01 3.610286326e+01 1.90 3.261747469e+01 3.261747469e+01 1.92 2.941185203e+01 2.941185203e+01 1.94 2.646354947e+01 2.646354947e+01 1.96 2.375244233e+01 2.375244233e+01 1.98 2.126018963e+01 2.126018963e+01 2.00 1.896976444e+01 1.896976444e+01 2.02 1.686518528e+01 1.686518528e+01 2.04 1.493144413e+01 1.493144413e+01 2.06 1.315453977e+01 1.315453977e+01 2.08 1.152152144e+01 1.152152144e+01 2.10 1.002049153e+01 1.002049153e+01 2.12 8.640563205e+00 8.640563205e+00 2.14 7.371796524e+00 7.371796524e+00 2.16 6.205137869e+00 6.205137869e+00 2.18 5.132372280e+00 5.132372280e+00 2.20 4.146081418e+00 4.146081418e+00 2.22 3.239594833e+00 3.239594833e+00 2.24 2.406927863e+00 2.406927863e+00 2.26 1.642707657e+00 1.642707657e+00 2.28 9.420931981e-01 9.420931981e-01 2.30 3.006954588e-01 3.006954588e-01 2.32 -2.854978755e-01 -2.854978755e-01 2.34 -8.201900886e-01 -8.201900886e-01 2.36 -1.306833118e+00 -1.306833118e+00 2.38 -1.748672768e+00 -1.748672768e+00 2.40 -2.148779056e+00 -2.148779056e+00 2.42 -2.510060544e+00 -2.510060544e+00 2.44 -2.835264558e+00 -2.835264558e+00 2.46 -3.126969613e+00 -3.126969613e+00 2.48 -3.387579705e+00 -3.387579705e+00 2.50 -3.619329671e+00 -3.619329671e+00 2.52 -3.824305155e+00 -3.824305155e+00 2.54 -4.004472573e+00 -4.004472573e+00 2.56 -4.161953660e+00 -4.161953660e+00 2.58 -4.299727409e+00 -4.299727409e+00 2.60 -4.419376510e+00 -4.419376510e+00 2.62 -4.522261445e+00 -4.522261445e+00 2.64 -4.609658960e+00 -4.609658960e+00 2.66 -4.682734326e+00 -4.682734326e+00 2.68 -4.742524150e+00 -4.742524150e+00 2.70 -4.789933463e+00 -4.789933463e+00 2.72 -4.825745821e+00 -4.825745821e+00 2.74 -4.850609011e+00 -4.850609011e+00 2.76 -4.864955087e+00 -4.864955087e+00 2.78 -4.869157596e+00 -4.869157596e+00 2.80 -4.863588088e+00 -4.863588088e+00 2.82 -4.848623939e+00 -4.848623939e+00 2.84 -4.824657640e+00 -4.824657640e+00 2.86 -4.792215992e+00 -4.792215992e+00 2.88 -4.751749228e+00 -4.751749228e+00 2.90 -4.703654641e+00 -4.703654641e+00 2.92 -4.648423312e+00 -4.648423312e+00 2.94 -4.586644702e+00 -4.586644702e+00 2.96 -4.519002248e+00 -4.519002248e+00 2.98 -4.446256528e+00 -4.446256528e+00 3.00 -4.369215466e+00 -4.369215466e+00 3.02 -4.288694651e+00 -4.288694651e+00 3.04 -4.205467284e+00 -4.205467284e+00 3.06 -4.120224162e+00 -4.120224162e+00 3.08 -4.033555078e+00 -4.033555078e+00 3.10 -3.945934084e+00 -3.945934084e+00 3.12 -3.857717248e+00 -3.857717248e+00 3.14 -3.769151354e+00 -3.769151354e+00 3.16 -3.680390009e+00 -3.680390009e+00 3.18 -3.591520191e+00 -3.591520191e+00 3.20 -3.502676645e+00 -3.502676645e+00 3.22 -3.413994236e+00 -3.413994236e+00 3.24 -3.325531716e+00 -3.325531716e+00 3.26 -3.237306002e+00 -3.237306002e+00 3.28 -3.149320380e+00 -3.149320380e+00 3.30 -3.061584909e+00 -3.061584909e+00 3.32 -2.974130705e+00 -2.974130705e+00 3.34 -2.887019317e+00 -2.887019317e+00 3.36 -2.800347987e+00 -2.800347987e+00 3.38 -2.714251232e+00 -2.714251232e+00 3.40 -2.628899016e+00 -2.628899016e+00 3.42 -2.544491772e+00 -2.544491772e+00 3.44 -2.461252651e+00 -2.461252651e+00 3.46 -2.379417624e+00 -2.379417624e+00 3.48 -2.299224278e+00 -2.299224278e+00 3.50 -2.220900318e+00 -2.220900318e+00 3.52 -2.144652820e+00 -2.144652820e+00 3.54 -2.070659188e+00 -2.070659188e+00 3.56 -1.999060487e+00 -1.999060487e+00 3.58 -1.929957528e+00 -1.929957528e+00 3.60 -1.863409715e+00 -1.863409715e+00 3.62 -1.799436362e+00 -1.799436362e+00 3.64 -1.738019995e+00 -1.738019995e+00 3.66 -1.679111033e+00 -1.679111033e+00 3.68 -1.622633246e+00 -1.622633246e+00 3.70 -1.568489461e+00 -1.568489461e+00 3.72 -1.516567092e+00 -1.516567092e+00 3.74 -1.466743204e+00 -1.466743204e+00 3.76 -1.418888937e+00 -1.418888937e+00 3.78 -1.372873205e+00 -1.372873205e+00 3.80 -1.328565673e+00 -1.328565673e+00 3.82 -1.285839047e+00 -1.285839047e+00 3.84 -1.244570745e+00 -1.244570745e+00 3.86 -1.204644051e+00 -1.204644051e+00 3.88 -1.165948839e+00 -1.165948839e+00 3.90 -1.128381972e+00 -1.128381972e+00 3.92 -1.091847488e+00 -1.091847488e+00 3.94 -1.056256695e+00 -1.056256695e+00 3.96 -1.021528238e+00 -1.021528238e+00 3.98 -9.875882935e-01 -9.875882935e-01 4.00 -9.543709178e-01 -9.543709178e-01 4.02 -9.218186300e-01 -9.218186300e-01 4.04 -8.898832231e-01 -8.898832231e-01 4.06 -8.585267700e-01 -8.585267700e-01 4.08 -8.277227201e-01 -8.277227201e-01 4.10 -7.974569267e-01 -7.974569267e-01 4.12 -7.677284212e-01 -7.677284212e-01 4.14 -7.385496346e-01 -7.385496346e-01 4.16 -7.099459431e-01 -7.099459431e-01 4.18 -6.819543069e-01 -6.819543069e-01 4.20 -6.546209840e-01 -6.546209840e-01 4.22 -6.279984006e-01 -6.279984006e-01 4.24 -6.021414094e-01 -6.021414094e-01 4.26 -5.771032693e-01 -5.771032693e-01 4.28 -5.529317387e-01 -5.529317387e-01 4.30 -5.296656451e-01 -5.296656451e-01 4.32 -5.073322188e-01 -5.073322188e-01 4.34 -4.859453554e-01 -4.859453554e-01 4.36 -4.655048457e-01 -4.655048457e-01 4.38 -4.459965090e-01 -4.459965090e-01 4.40 -4.273930864e-01 -4.273930864e-01 4.42 -4.096557168e-01 -4.096557168e-01 4.44 -3.927358039e-01 -3.927358039e-01 4.46 -3.765770961e-01 -3.765770961e-01 4.48 -3.611178222e-01 -3.611178222e-01 4.50 -3.462927622e-01 -3.462927622e-01 4.52 -3.320351665e-01 -3.320351665e-01 4.54 -3.182784753e-01 -3.182784753e-01 4.56 -3.049578229e-01 -3.049578229e-01 4.58 -2.920113403e-01 -2.920113403e-01 4.60 -2.793812864e-01 -2.793812864e-01 4.62 -2.670150464e-01 -2.670150464e-01 4.64 -2.548660365e-01 -2.548660365e-01 4.66 -2.428945399e-01 -2.428945399e-01 4.68 -2.310684853e-01 -2.310684853e-01 4.70 -2.193641530e-01 -2.193641530e-01 4.72 -2.077667751e-01 -2.077667751e-01 4.74 -1.962709686e-01 -1.962709686e-01 4.76 -1.848809314e-01 -1.848809314e-01 4.78 -1.736103233e-01 -1.736103233e-01 4.80 -1.624817632e-01 -1.624817632e-01 4.82 -1.515259090e-01 -1.515259090e-01 4.84 -1.407800928e-01 -1.407800928e-01 4.86 -1.302865860e-01 -1.302865860e-01 4.88 -1.200905604e-01 -1.200905604e-01 4.90 -1.102378862e-01 -1.102378862e-01 4.92 -1.007729211e-01 -1.007729211e-01 4.94 -9.173644678e-02 -9.173644678e-02 4.96 -8.316389423e-02 -8.316389423e-02 4.98 -7.508396050e-02 -7.508396050e-02 5.00 -6.751767801e-02 -6.751767801e-02 5.02 -6.047794867e-02 -6.047794867e-02 5.04 -5.396952025e-02 -5.396952025e-02 5.06 -4.798934718e-02 -4.798934718e-02 5.08 -4.252725573e-02 -4.252725573e-02 5.10 -3.756683514e-02 -3.756683514e-02 5.12 -3.308648053e-02 -3.308648053e-02 5.14 -2.906050347e-02 -2.906050347e-02 5.16 -2.546017887e-02 -2.546017887e-02 5.18 -2.225451479e-02 -2.225451479e-02 5.20 -1.941224137e-02 -1.941224137e-02 5.22 -1.690230066e-02 -1.690230066e-02 5.24 -1.469351028e-02 -1.469351028e-02 5.26 -1.275567796e-02 -1.275567796e-02 5.28 -1.106022262e-02 -1.106022262e-02 5.30 -9.580443085e-03 -9.580443085e-03 5.32 -8.291678328e-03 -8.291678328e-03 5.34 -7.171377974e-03 -7.171377974e-03 5.36 -6.199101068e-03 -6.199101068e-03 5.38 -5.356460021e-03 -5.356460021e-03 5.40 -4.627024772e-03 -4.627024772e-03 5.42 -3.996200099e-03 -3.996200099e-03 5.44 -3.451086727e-03 -3.451086727e-03 5.46 -2.980334741e-03 -2.980334741e-03 5.48 -2.573995813e-03 -2.573995813e-03 5.50 -2.223378988e-03 -2.223378988e-03 5.52 -1.920913350e-03 -1.920913350e-03 5.54 -1.660019698e-03 -1.660019698e-03 5.56 -1.434992416e-03 -1.434992416e-03 5.58 -1.240892068e-03 -1.240892068e-03 5.60 -1.073448696e-03 -1.073448696e-03 5.62 -9.289754931e-04 -9.289754931e-04 5.64 -8.042922475e-04 -8.042922475e-04 5.66 -6.966578578e-04 -6.966578578e-04 5.68 -6.037111233e-04 -6.037111233e-04 5.70 -5.234190066e-04 -5.234190066e-04 5.72 -4.540315800e-04 -4.540315800e-04 5.74 -3.940429038e-04 -3.940429038e-04 5.76 -3.421571354e-04 -3.421571354e-04 5.78 -2.972592295e-04 -2.972592295e-04 5.80 -2.583896481e-04 -2.583896481e-04 5.82 -2.247225620e-04 -2.247225620e-04 5.84 -1.955470804e-04 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